7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

C16H10F3N5O — CID 86298900

IUPAC7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3cccnc3)cc2n1CC(F)(F)F
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)8-24-12-4-10(9-2-1-3-20-5-9)6-21-14(12)13-11(15(24)25)7-22-23-13/h1-7H,8H2,(H,22,23)
InChIKeyGQZKTDKWPYTAJL-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.90
Rot. Bonds2

About 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (PubChem CID 86298900) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
PubChem CID86298900
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3cccnc3)cc2n1CC(F)(F)F
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)8-24-12-4-10(9-2-1-3-20-5-9)6-21-14(12)13-11(15(24)25)7-22-23-13/h1-7H,8H2,(H,22,23)
InChIKeyGQZKTDKWPYTAJL-UHFFFAOYSA-N
XLogP2.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The IUPAC name of 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (CID 86298900) is 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The canonical SMILES for 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is O=c1c2cn[nH]c2c2ncc(-c3cccnc3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The InChIKey is GQZKTDKWPYTAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c17-16(18,19)8-24-12-4-10(9-2-1-3-20-5-9)6-21-14(12)13-11(15(24)25)7-22-23-13/h1-7H,8H2,(H,22,23).
What are the key properties of 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one has a molecular weight of 345.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 86298900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).